Geometry & MOs

Info

ID:	54484
PubChem CID:	17388758
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	486.225368
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	4.32
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (17R)-17-acetyloxy-17-(2-acetyloxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-11-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCC(=O)C1=CC(=C(C=C1)O)OC.Cl

DOS

IR

Vibrations